Info
| ID | 6495 |
| Metal | Os |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Os3 |
| SMILES | CCCCn1c(-c2[c-]ccc(-c3ccc(N(C)C)cc3)c2)nc2cc(C(=O)OC)ccc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C47H44N7O2Os/(1-56)(2-47)(3-50)(4-75)(5-75)(6-68)(7-67)(8-53)(9-54)(10-60)(11-90)(12-51)(13-48)(14-77)(15-78)(16-66)(17-81)(18-81)(19-45)(20-45)(21-45)(22-61)(23-59)(24-55)(25-57)(26-75)(27-76)(28-58)(29-79)(30-64)(31-49)(32-80)(33-69)(34-69)(35-90)(36-76)(37-76)(38-90)(39-62)(40-63)(41-65)(42-52)(43-70)(44-70)(45-70)(46-55)(46-74)(47-48)(47-77)(48-53)(49-50)(49-54)(50-78)(51-62)(51-79)(52-63)(52-80)(53-84)(54-85)(55-59)(56-60)(56-88)(57-58)(57-82)(58-72)(59-71)(60-73)(61-68)(61-73)(62-64)(63-65)(64-86)(65-87)(66-72)(66-83)(67-71)(67-74)(68-88)(69-70)(69-81)(71-73)(72-91)(74-89)(75-92)(76-92)(77-94)(78-95)(79-96)(80-97)(81-93)(82-83)(82-93)(83-98)(84-85)(84-94)(85-95)(86-87)(86-96)(87-97)(88-92)(89-93)(89-98)(90-100)(91-99)(91-100)(94-101)(95-101)(96-101)(97-101)(98-101)(100-101)
Measurements (9)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.08 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| HCT-116 | 0.12 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| PNT1A | 0.13 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| MCF-7 | 0.15 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| MRC5pd30 | 0.19 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| A375 | 0.2 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| OE33 | 0.23 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| PSN1 | 0.24 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
| HeLa | 0.6 | — | 10.1021/acs.inorgchem.3c00501 | 2023 |
Source-assisted 2D generator
Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.
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